trans-β-Hydromuconic acid
Product Information
Molecular Formula
C6H8O4
Molecular Weight
144.13
Description
trans-β-Hydromuconic acid (CAS# 4436-74-2) is used as a starting material in the synthesis of Adipic Acid (A291590) which is primarily used in the synthesis of nylon.
Synonyms
(E)-hex-3-enedioic acid
IUPAC Name
(E)-hex-3-enedioic acid
SMILES
C(C=CCC(=O)O)C(=O)O
InChI
InChI=1S/C6H8O4/c7-5(8)3-1-2-4-6(9)10/h1-2H,3-4H2,(H,7,8)(H,9,10)/b2-1+
InChI Key
YHGNXQAFNHCBTK-OWOJBTEDSA-N
Boiling Point
368.7 °C at 760 mmHg
Melting Point
195-196 °C (lit.)
Purity
95 %
Density
1.305 g/cm3
Solubility
17 mg/mL
Appearance
White to almost white powder to crystal
LogP
0.49200
Safety Information
Hazards
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Causes skin irritation.
H319:
Causes serious eye irritation.
Precautionary Statement
P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word
Warning
Computed Properties
XLogP3
-0.1
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
4
Exact Mass
144.04225873 g/mol
Monoisotopic Mass
144.04225873 g/mol
Topological Polar Surface Area
74.6Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
141
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
1
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-113756088-A | Negative ion fabric and preparation method thereof | 2021-09-03 |
| JP-2022041899-A | Resin composition, resin film and display device | 2020-08-31 |
| JP-2022041900-A | Laminates and display devices | 2020-08-31 |
| JP-2022041901-A | Laminates and display devices | 2020-08-31 |
| WO-2022044822-A1 | Resin composition, resin film, and display device | 2020-08-31 |
| WO-2022044823-A1 | Layered body and display device | 2020-08-31 |
| WO-2022044824-A1 | Layered body and display device | 2020-08-31 |
| US-2022064107-A1 | Photoresponsive compound, adhesive, switching material, and toner containing the photoresponsive compound, and image forming method using the toner | 2020-08-28 |
| US-2022066345-A1 | Photoresponsive polymer, photoresponsive adhesive, toner, and image forming method | 2020-08-28 |
| WO-2022045224-A1 | Novel nucleic acid molecule inhibiting expression of target gene | 2020-08-25 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 30086327 | 2018-12-01 | Biological monitoring of low level exposure to benzene in an oil refinery: Effect of modulating factors | Toxicology letters |
| 22846771 | 2012-10-01 | Urinary trans, trans-muconic acid and S-phenylmercapturic acid are indicative of exposure to urban benzene pollution during childhood | The Science of the total environment |
| 23077793 | 2012-09-01 | Association between environmental exposure to benzene and oxidative damage to nucleic acids in children | La Medicina del lavoro |
| 23077794 | 2012-09-01 | Biological monitoring of low-level exposure to benzene | La Medicina del lavoro |
| 21300142 | 2012-08-13 | Low occupational exposure to benzene in a petrochemical plant: modulating effect of genetic polymorphisms and smoking habit on the urinary t,t-MA/SPMA ratio | Toxicology letters |
| 22173199 | 2012-08-13 | Influence of glutathione S-transferases polymorphisms on biological monitoring of exposure to low doses of benzene | Toxicology letters |
| 22479697 | 2012-05-21 | Molecularly imprinted solid-phase extraction and high-performance liquid chromatography with ultraviolet detection for the determination of urinary trans,trans-muconic acid: a comparison with ionic exchange extraction | The Analyst |
| 22297198 | 2012-05-01 | Assessment of occupational exposure to benzene, toluene and xylenes in urban and rural female workers | Chemosphere |
| 22555192 | 2012-05-01 | Environmental and biological monitoring of benzene in traffic policemen, police drivers and rural outdoor male workers | Journal of environmental monitoring : JEM |
| 21671104 | 2012-04-01 | Evaluation of exposure biomarkers in offshore workers exposed to low benzene and toluene concentrations | International archives of occupational and environmental health |
